Rafael Ravedutti
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ec556eb117
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Add EAM without explicit types and update fp for PBC atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-11-03 00:57:24 +01:00 |
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Rafael Ravedutti
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0f1e824507
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Fix integration with mass and add VTK output
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-29 16:52:19 +02:00 |
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Rafael Ravedutti
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d9c9cba12d
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Set EAM parameters for same case as miniMD
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-27 01:38:56 +02:00 |
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Rafael Ravedutti
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70cc6aeb19
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Add first working version of EAM
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 13:55:14 +02:00 |
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Rafael Ravedutti
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99d6a4bdd8
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Fix Funcfl reference to avoid segfaults
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 01:40:02 +02:00 |
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Rafael Ravedutti
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40ddc9ad50
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Fix errors introduced by last changes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 01:19:11 +02:00 |
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Rafael Ravedutti
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2dac10469c
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Add EAM force field
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 00:40:39 +02:00 |
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